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Substance Name: Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl
RN: 3215-89-2
InChIKey: HSHAIZBRLNTKLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O

Molecular Weight

  • 337.504
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl ketone
  • BRN 2757814

Systematic Name

  • Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl

Registry Numbers

CAS Registry Number

  • 3215-89-2

System Generated Number

  • 0003215892

Structure Descriptors

InChI

1S/C23H31NO/c1-17-11-7-9-13-19(17)21(25)15-16-23(3,4)22(24(5)6)20-14-10-8-12-18(20)2/h7-14,22H,15-16H2,1-6H3

InChIKey

HSHAIZBRLNTKLE-UHFFFAOYSA-N

Smiles

c1([C@@H](C(CCC(c2c(cccc2)C)=O)(C)C)N(C)C)c(cccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 187, 1966.